SCHEMBL29601775

SCHEMBL29601775

C#CCn1cnc2ncnc(Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.40
ADORA2A P29274 2/20 0.39
FDPS P14324 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22912677 0.79 ADORA2B (0.39) ADORA2B
SCHEMBL2063606 0.77 ADORA2A (0.64) ADORA2BADORA2AFDPS
SCHEMBL29601503 0.76 ADORA2B (0.38) ADORA2B
SCHEMBL29601416 0.76 ADORA2B (0.40) ADORA2BADORA2A
SCHEMBL28454215 0.73 FDPS (0.51) ADORA2AFDPS
SCHEMBL3476218 0.72 ADORA2A (0.47) ADORA2BADORA2A
SCHEMBL22912744 0.71 ADORA2B (0.34) ADORA2B
SCHEMBL6788435 0.71 NPSR1 (0.42) ADORA2B
SCHEMBL6665170 0.70 MET (0.42) ADORA2A
SCHEMBL5355348 0.67 ADORA2A (0.40) ADORA2BADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP claimed
WO-2024097262-A1 CHEMOPROTEOMIC CAPTURE OF RNA BINDING ACTIVITY IN LIVING CELLS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-05-10 WO disclosed
US-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-11 US disclosed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF DDB1, HSPBP1, ATIC ADORA2B 987/4885ADORA2A 459/4885FDPS 881/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.